7-(3-cyanoimidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-(3-cyanoimidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-(3-cyanoimidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-(3-cyano-1-imidazo[1,2-a]pyridin-4-iumyl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-(3-cyanoimidazo[1,2-a]pyridin-4-ium-1-yl)-7-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(3-cyanoimidazo[1,2-a]pyridin-4-ium-1-yl)-8-keto-7-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])N3C=C([N+]4=CC=CC=C34)C#N

Isomeric SMILES

CC1(C2N(C1=O)C(=CCS2)C(=O)[O-])N3C=C([N+]4=CC=CC=C34)C#N

InChI

InChI=1S/C16H12N4O3S/c1-16(14(23)20-11(13(21)22)5-7-24-15(16)20)19-9-10(8-17)18-6-3-2-4-12(18)19/h2-6,9,15H,7H2,1H3